Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.52 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 4/20 | 0.50 |
| ▸ | CTSB | P07858 | 4/20 | 0.50 |
| ▸ | CTSS | P25774 | 4/20 | 0.50 |
| ▸ | CTSK | P43235 | 4/20 | 0.50 |
| ▸ | KYNU | Q16719 | 1/20 | 0.50 |
| ▸ | ECE1 | P42892 | 3/20 | 0.49 |
| ▸ | MME | P08473 | 2/20 | 0.49 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL846125 | 0.94 | CTRB1 (0.54) | ELANEACE2CTSLCTSBCTSS | |
| SCHEMBL1068881 | 0.87 | KYNU (0.60) | ELANEACE2CTSLCTSBCTSS | |
| SCHEMBL535707 | 0.82 | KYNU (0.57) | ELANEACE2KYNUPRTN3ATM | |
| SCHEMBL13435790 | 0.82 | KYNU (0.57) | ELANEACE2KYNUPRTN3ATM | |
| SCHEMBL12903901 | 0.82 | KYNU (0.60) | ELANEACE2CTSKKYNUECE1 | |
| SCHEMBL1110994 | 0.81 | KYNU (0.56) | ELANEACE2KYNUPRTN3ATM | |
| SCHEMBL8740045 | 0.80 | ELANE (0.60) | ELANEACE2CTSLCTSSCTSK | |
| SCHEMBL4163321 | 0.80 | ELANE (0.60) | ELANEACE2CTSLCTSSCTSK | |
| SCHEMBL11567174 | 0.80 | ELANE (0.60) | ELANEACE2CTSLCTSSCTSK | |
| Trimethylammonium SCHEMBL27701058 | 0.80 | CTSK (0.54) | ELANECTSLCTSBCTSSCTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105073755-A | Heterocycle-substituted tetracyclic compounds and methods of use thereof for treatment of viral diseases | MERCK SHARP & DOHME | 2015-11-18 | — | — | CN | disclosed |